2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole

C27H18N6 — CID 3668109

IUPAC2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3cc(-c4nc5ccccc5[nH]4)cc(-c4nc5ccccc5[nH]4)c3)nc2c1
InChIInChI=1S/C27H18N6/c1-2-8-20-19(7-1)28-25(29-20)16-13-17(26-30-21-9-3-4-10-22(21)31-26)15-18(14-16)27-32-23-11-5-6-12-24(23)33-27/h1-15H,(H,28,29)(H,30,31)(H,32,33)
InChIKeyGEJNKGHTWHDVTK-UHFFFAOYSA-N
MW426.48 g/mol
LogP6.32
Rot. Bonds3

About 2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole

2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole (PubChem CID 3668109) has the molecular formula C27H18N6 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
PubChem CID3668109
Molecular FormulaC27H18N6
Molecular Weight426.48 g/mol
Exact Mass426.16
IUPAC Name2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3cc(-c4nc5ccccc5[nH]4)cc(-c4nc5ccccc5[nH]4)c3)nc2c1
InChIInChI=1S/C27H18N6/c1-2-8-20-19(7-1)28-25(29-20)16-13-17(26-30-21-9-3-4-10-22(21)31-26)15-18(14-16)27-32-23-11-5-6-12-24(23)33-27/h1-15H,(H,28,29)(H,30,31)(H,32,33)
InChIKeyGEJNKGHTWHDVTK-UHFFFAOYSA-N
XLogP6.32
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole (CID 3668109) is 2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole is c1ccc2[nH]c(-c3cc(-c4nc5ccccc5[nH]4)cc(-c4nc5ccccc5[nH]4)c3)nc2c1.
What is the InChIKey of 2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole?
The InChIKey is GEJNKGHTWHDVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N6/c1-2-8-20-19(7-1)28-25(29-20)16-13-17(26-30-21-9-3-4-10-22(21)31-26)15-18(14-16)27-32-23-11-5-6-12-24(23)33-27/h1-15H,(H,28,29)(H,30,31)(H,32,33).
What are the key properties of 2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole?
2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole has a molecular weight of 426.48 g/mol, XLogP of 6.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 3668109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).